2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-ethylsulfonyl-phenol

Systemtic Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-ethylsulfonyl-phenol Openeye Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-ethylsulfonyl-phenol CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-ethylsulfonylphenol IUPAC Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-ethylsulfonylphenol Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-esyl-phenol Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O5S/c1-4-31(27,28)10-5-6-14(26)13(7-10)23-17-11-8-15(29-2)16(30-3)9-12(11)24-18(25-17)19(20,21)22/h5-9,26H,4H2,1-3H3,(H,23,24,25)